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(Q63392424)
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English
(1R,5S,8R)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic aliphatic hydrocarbon
0 references
mass
204.187800768
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Patchoulene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄
0 references
canonical SMILES
C12=C(CCC1C)C3(C)CCC(C2)C3(C)C
0 references
isomeric SMILES
C[C@H]1CCC2=C1C[C@H]3CC[C@@]2(C3(C)C)C
0 references
found in taxon
Nardostachys jatamansi
1 reference
stated in
[Patchouli alcohol and beta patchoulene from Nardostachys chinensis]
Stachys chinensis
1 reference
stated in
[Patchouli alcohol and beta patchoulene from Nardostachys chinensis]
Valeriana jatamansi
1 reference
stated in
[Patchouli alcohol and beta patchoulene from Nardostachys chinensis]
Pogostemon cablin
1 reference
stated in
GC-MS fingerprint of Pogostemon cablin in China
Curcuma amada
1 reference
stated in
Volatile terpenoid compositions of leaf and rhizome of Curcuma amada Roxb. from Northern India
Identifiers
InChI
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1
0 references
InChIKey
CSKINCSXMLCMAR-RWSFTLGLSA-N
0 references
CAS Registry Number
514-51-2
1 reference
InChIKey
CSKINCSXMLCMAR-RWSFTLGLSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=514-51-2
PubChem CID
12313993
1 reference
matched by identifier from
InChIKey
InChIKey
CSKINCSXMLCMAR-RWSFTLGLSA-N
UniChem compound ID
97683691
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002844
0 references
DSSTox substance ID
DTXSID7052153
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
CSKINCSXMLCMAR-RWSFTLGLSA-N
DSSTOX compound identifier
DTXCID2030722
0 references
AICS Chemical ID (BEING DELETED)
4624
0 references
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